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88398-56-5 | 1H-Pyrazole-4-sulfonamide, 5-methoxy-1-methyl-3-(1-methylethyl)-
CAS No: 88398-56-5 Catalog No: AG008D5K MDL No:
Product Description
Catalog Number:
AG008D5K
Chemical Name:
1H-Pyrazole-4-sulfonamide, 5-methoxy-1-methyl-3-(1-methylethyl)-
CAS Number:
88398-56-5
Molecular Formula:
C8H15N3O3S
Molecular Weight:
233.2880
IUPAC Name:
5-methoxy-1-methyl-3-propan-2-ylpyrazole-4-sulfonamide
InChI:
InChI=1S/C8H15N3O3S/c1-5(2)6-7(15(9,12)13)8(14-4)11(3)10-6/h5H,1-4H3,(H2,9,12,13)
InChI Key:
LNZSLOMZKNJLLW-UHFFFAOYSA-N
SMILES:
COc1n(C)nc(c1S(=O)(=O)N)C(C)C
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.083g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.286g/mol
Monoisotopic Mass:
233.083g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
95.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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